Table 3 In silico ADMET profile of Piperine derivatives
Sr. no | Mol. wt | TPSA | No. of rotatable bonds | DonorHB | AccptHB | QPlogPo/w | QPlogBB | QPPMDCK | QPPCaco |
|---|---|---|---|---|---|---|---|---|---|
5 | 372.21 | 47.57 | 4 | 1 | 4 | 4.34 | 0.134 | 4525.13 | 3140.96 |
7 | 343.38 | 47.57 | 4 | 1 | 4 | 4.549 | 0.429 | 1318.41 | 2476.54 |
9 | 277.32 | 48.01 | 3 | 0 | 6 | 2.15 | 0.118 | 2146.11 | 3887.00 |
11 | 356.46 | 44.77 | 6 | 0 | 3 | 5.445 | 0.229 | 2470.55 | 4427.72 |
13 | 362.33 | 74.98 | 5 | 0 | 6 | 2.955 | 0.939 | 408.022 | 836.747 |
15 | 373.36 | 74.21 | 6 | 0 | 5 | 3.846 | 0.945 | 484.356 | 980.622 |
17a | 350.15 | 44.77 | 6 | 0 | 4 | 2.78 | 1.088 | 392.825 | 807.873 |
17b | 352.34 | 71.08 | 8 | 0 | 7 | 2.18 | 1.874 | 234.985 | 708.548 |
17c | 364.39 | 54.01 | 7 | 0 | 5 | 4.949 | 0.377 | 2442.11 | 4380.54 |